Ryan DeFever, as part of the NSF-funded MoSDeF team, has developed a complete Python interface to Cassandra that enables rapid setup of Cassandra simulations. The tools help build the systems, assign atom types and force field parameters, and launch the job. The result is more reproducible results that are well documented and reliable. You can check out the tools at https://github.com/MaginnGroup/mosdef_cassandra
A paper describing the tools was published in the Journal of Computational Chemistry https://onlinelibrary.wiley.com/doi/10.1002/jcc.26544
